[[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]-(octylamino)methyl] 4-methylbenzenesulfonate

Systemtic Name: [[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]-(octylamino)methyl] 4-methylbenzenesulfonate Openeye Name: [[2-(1,5-dimethylhex-4-enyl)-5-methyl-phenyl]-(octylamino)methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]-(octylamino)methyl] ester IUPAC Name: [[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]-(octylamino)methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[2-(1,5-dimethylhex-4-enyl)-5-methyl-phenyl]-(octylamino)methyl] ester Formula: C31H47NO3S MolecularWeight: 513.77478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(C1=C(C=CC(=C1)C)C(C)CCC=C(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCNC(C1=C(C=CC(=C1)C)C(C)CCC=C(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C31H47NO3S/c1-7-8-9-10-11-12-22-32-31(35-36(33,34)28-19-16-25(4)17-20-28)30-23-26(5)18-21-29(30)27(6)15-13-14-24(2)3/h14,16-21,23,27,31-32H,7-13,15,22H2,1-6H3